1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]ethyl formate

C7H7F3N2O2 — CID 174949406

IUPAC1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]ethyl formate
SMILESCC(OC=O)c1cc(C(F)(F)F)n[nH]1
InChIInChI=1S/C7H7F3N2O2/c1-4(14-3-13)5-2-6(12-11-5)7(8,9)10/h2-4H,1H3,(H,11,12)
InChIKeyNYIIVHIIDNYNTA-UHFFFAOYSA-N
MW208.14 g/mol
LogP1.66
Rot. Bonds3

About 1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]ethyl formate

1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]ethyl formate (PubChem CID 174949406) has the molecular formula C7H7F3N2O2 and a molecular weight of 208.14 g/mol. Its IUPAC name is 1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]ethyl formate.

Molecular Properties

Compound Name1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]ethyl formate
PubChem CID174949406
Molecular FormulaC7H7F3N2O2
Molecular Weight208.14 g/mol
Exact Mass208.05
IUPAC Name1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]ethyl formate
SMILESCC(OC=O)c1cc(C(F)(F)F)n[nH]1
InChIInChI=1S/C7H7F3N2O2/c1-4(14-3-13)5-2-6(12-11-5)7(8,9)10/h2-4H,1H3,(H,11,12)
InChIKeyNYIIVHIIDNYNTA-UHFFFAOYSA-N
XLogP1.66
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.14
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]ethyl formate?
The IUPAC name of 1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]ethyl formate (CID 174949406) is 1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]ethyl formate.
What is the SMILES notation for 1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]ethyl formate?
The canonical SMILES for 1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]ethyl formate is CC(OC=O)c1cc(C(F)(F)F)n[nH]1.
What is the InChIKey of 1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]ethyl formate?
The InChIKey is NYIIVHIIDNYNTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O2/c1-4(14-3-13)5-2-6(12-11-5)7(8,9)10/h2-4H,1H3,(H,11,12).
What are the key properties of 1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]ethyl formate?
1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]ethyl formate has a molecular weight of 208.14 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]ethyl formate is sourced from PubChem (CID 174949406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).